1.0 2016-10-03 18:01:36 UTC 2020-04-22 15:39:29 UTC BMDB0010219 BMDB10219 8,15-DiHETE 8,15-Dihydroxy-5,9,11,13-eicosatetraenoate 8,15-Dihydroxy-5,9,11,13-eicosatetraenoic acid 8,15-Leukotriene b(4) 8,15-Leukotriene b4 8,15-LTB4 8,15-Leukotriene b4, (R-(r*,s*-(e,e,e,Z)))-isomer 8,15-Leukotriene b4, (S-(r*,s*-(e,e,Z,Z)))-isomer 8,15-Leukotriene b4, (S-(r*,r*-(e,e,e,Z)))-isomer 8,15-Leukotriene b4, (S-(r*,r*-(e,e,Z,Z)))-isomer 8,15-Leukotriene b4, (S-(r*,s*-(e,e,e,Z)))-isomer C20H32O4 336.4657 336.230059512 (5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid 8,15-DiHETE 77667-08-4 CCCCCC(O)\C=C\C=C/C=C/C(O)C\C=C/CCCC(O)=O InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+ NNPWRKSGORGTIM-RCDCWWQHSA-N belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hydroxyeicosatetraenoic acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy fatty acid Hydroxyeicosatetraenoic acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Solid logp 5.37 ALOGPS logs -4.31 ALOGPS logp 4.13 ChemAxon pka_strongest_acidic 4.68 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid ChemAxon average_mass 336.4657 ChemAxon mono_mass 336.230059512 ChemAxon smiles CCCCCC(O)\C=C\C=C/C=C/C(O)C\C=C/CCCC(O)=O ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+ ChemAxon inchikey NNPWRKSGORGTIM-RCDCWWQHSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 102.98 ChemAxon polarizability 39.95 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 314248 Specdb::MsMs 314249 Specdb::MsMs 314250 Specdb::MsMs 359974 Specdb::MsMs 359975 Specdb::MsMs 359976 Specdb::MsMs 2388029 Specdb::MsMs 2388030 Specdb::MsMs 2388031 Specdb::MsMs 2573899 Specdb::MsMs 2573900 Specdb::MsMs 2573901 Specdb::CMs 21700 Specdb::CMs 39432 Specdb::CMs 149703 35031963 53480358 88456 FDB027372